8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C12H21FO — CID 123463547

IUPAC8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC2CC(C)C(C)C(F)C2O1
InChIInChI=1S/C12H21FO/c1-7-6-10-5-4-8(2)14-12(10)11(13)9(7)3/h7-12H,4-6H2,1-3H3
InChIKeyYKNZLXVNARZXAL-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.18
Rot. Bonds

About 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 123463547) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID123463547
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC2CC(C)C(C)C(F)C2O1
InChIInChI=1S/C12H21FO/c1-7-6-10-5-4-8(2)14-12(10)11(13)9(7)3/h7-12H,4-6H2,1-3H3
InChIKeyYKNZLXVNARZXAL-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene with MolForge

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Related Compounds

1H-2-Benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-
CID 3085817
2,5,5,8a-Tetramethyloctahydro-2H-chromene
CID 602183
(4s,4Ar,7r,8ar)-4-fluoro-4,7-dimethyloctahydrospiro[chromene-2,1'-cyclopentane]
CID 154574018
(4s,4Ar,7r,8ar)-4-fluoro-4,7-dimethyloctahydrospiro[chromene-2,1'-cyclohexane]
CID 154574031
(1R,4aS,8aS)-6-fluoro-1-heptyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 154716801
Perhydronaphthopyran
CID 53707571
2-(Fluoromethoxy)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58719010
4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
CID 59745721
(2S,8aS)-6-fluoro-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 68177596
(1R,4aR)-2-[(4-fluorocyclohexyl)methoxy]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70841737
2-(Fluoromethyl)-5-(4-methylcyclohexyl)oxane
CID 70875693
3,3,6,7-Tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
CID 73556749

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 123463547) is 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CC1CCC2CC(C)C(C)C(F)C2O1.
What is the InChIKey of 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is YKNZLXVNARZXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-7-6-10-5-4-8(2)14-12(10)11(13)9(7)3/h7-12H,4-6H2,1-3H3.
What are the key properties of 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 200.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,6,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 123463547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).